Registration Dossier
Registration Dossier
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EC number: 942-086-0 | CAS number: -
Endpoint summary
Administrative data
Description of key information
Additional information
Discussion of physicochemical properties of whole substance
The substance is a complex mixture of hydrocarbons with carbon numbers in the range C16-C22. It is a liquid, with a pour point of less than -20°C and a boiling range of 275-349°C at 1013 hPa. The measured relative density of the substance is 0.7885 at 20°C and measured kinematic viscosity values are 6.9 mm²/s at 25ºC and 2.4 mm²/s at 40ºC .
The substance is expected to have vapour pressure in the range 1.2E-04 - 4.0E-02 Pa at 20°C, 3.1E-04 - 8.0E-02 Pa at 25ºC and 2.0E-02 - 1.5 Pa at 50°C based on read-across from related substances. It has a water solubility value of <0.1 mg/l at 20±0.5°C and a log Kow of >7.2 at 35°C and pH 7.3 based on read-across from related substances. It is not considered to be surface active based on structural examination.
The substance is not classified as a flammable liquid according to Regulation (EC) No. 1272/2008 on the basis of measured flash point of 137.5°C and a measured boiling range of 275 – 349°C at 1013 hPa. The auto-ignition temperature is in the range 214 - 226°C based on read-across from related substances. Based on its structure and safe handling in use it is not considered to exhibit explosive or oxidising properties or be flammable in contact with air or moisture.
Physicochemical properties of constituents
Predicted property data for vapour pressure, water solubility, n-octanol/water partition coefficient (log Kow) and Henry’s Law constant (HLC) were obtained for the constituents as described below.
Partition coefficient
The individual constituents of the substance have predicted log Kow values of 6.58 to >9 using a validated QSAR estimation method. Further details about the prediction are in the QMRF and QPRF attached to the IUCLID dossier.
Water solubility
The individual constituents of the substance have predicted water solubility values of <1E-04 to 4.3E-03 mg/l at 20°C. Therefore, the constituents are considered insoluble in water on the basis of available predicted results. Further details about the prediction are in the QMRF and QPRF attached to the IUCLID dossier.
Vapour pressure
The individual constituents of the substance have predicted vapour pressure values of 4.2E-05 Pa to 1.15E+01 Pa at 25°C using a validated QSAR estimation method. Further details about the prediction are in the QMRF and QPRF attached to the IUCLID dossier.
Henry’s Law Constant (HLC)
Values can be calculated from the other physicochemical properties using the expression:
HLC (Pa.m3/mol) = [VP (Pa) x MW (g/mol)] ÷ [WS (mg/l)]
Where:
VP = vapour pressure; MW = molecular weight; WS = water solubility
Summary of relevant properties of constituents
The data are summarised in the table below
Table1.3.2: Predicted physicochemical properties for constituents of Hydrocarbons, C16-C22, n-alkanes, isoalkanes, <2% aromatics
Carbon Number |
CH3 |
CH2 |
branched |
Vapour pressure (Pa) at 25°C |
log Kow |
Water solubility at 20°C (mg/l) |
13 |
2 |
11 |
0 |
9.14E+00 |
6.73 |
3.0E-03 |
14 |
2 |
12 |
0 |
2.99E+00 |
7.22 |
9.0E-04 |
15 |
2 |
13 |
0 |
9.79E-01 |
7.71 |
2.7E-04 |
16 |
2 |
14 |
0 |
3.21E-01 |
8.20 |
8.2E-05 |
17 |
2 |
15 |
0 |
1.05E-01 |
8.69 |
2.4E-05 |
18 |
2 |
16 |
0 |
3.44E-02 |
9.18 |
7.3E-06 |
19 |
2 |
17 |
0 |
1.12E-02 |
9.67 |
2.2E-06 |
20 |
2 |
18 |
0 |
3.68E-03 |
10.16 |
6.4E-07 |
21 |
2 |
19 |
0 |
1.21E-03 |
10.65 |
1.9E-07 |
22 |
2 |
20 |
0 |
3.94E-04 |
11.15 |
5.6E-08 |
23 |
2 |
21 |
0 |
1.29E-04 |
11.64 |
1.6E-08 |
24 |
2 |
22 |
0 |
4.23E-05 |
12.13 |
4.9E-09 |
13 |
3 |
9 |
1 |
1.15E+01 |
6.65 |
3.6E-03 |
14 |
3 |
10 |
1 |
3.76E+00 |
7.14 |
1.1E-03 |
15 |
3 |
11 |
1 |
1.23E+00 |
7.63 |
3.3E-04 |
16 |
3 |
12 |
1 |
4.03E-01 |
8.13 |
9.9E-05 |
17 |
3 |
13 |
1 |
1.32E-01 |
8.62 |
2.9E-05 |
18 |
3 |
14 |
1 |
4.32E-02 |
9.11 |
8.8E-06 |
19 |
3 |
15 |
1 |
1.41E-02 |
9.60 |
2.6E-06 |
20 |
3 |
16 |
1 |
4.62E-03 |
10.09 |
7.8E-07 |
21 |
3 |
17 |
1 |
1.51E-03 |
10.58 |
2.3E-07 |
22 |
3 |
18 |
1 |
4.95E-04 |
11.07 |
6.8E-08 |
23 |
3 |
19 |
1 |
1.62E-04 |
11.56 |
2.0E-08 |
24 |
3 |
20 |
1 |
5.31E-05 |
12.05 |
5.9E-09 |
13 |
3 |
8 |
2 |
1.07E+01 |
6.58 |
4.3E-03 |
14 |
3 |
9 |
2 |
3.52E+00 |
7.07 |
1.3E-03 |
15 |
3 |
10 |
2 |
1.15E+00 |
7.56 |
4.0E-04 |
16 |
3 |
11 |
2 |
3.77E-01 |
8.05 |
1.2E-04 |
17 |
3 |
12 |
2 |
1.23E-01 |
8.54 |
3.6E-05 |
18 |
3 |
13 |
2 |
4.04E-02 |
9.03 |
1.1E-05 |
19 |
3 |
14 |
2 |
1.32E-02 |
9.53 |
3.2E-06 |
20 |
3 |
15 |
2 |
4.33E-03 |
10.02 |
9.4E-07 |
21 |
3 |
16 |
2 |
1.42E-03 |
10.51 |
2.8E-07 |
22 |
3 |
17 |
2 |
4.63E-04 |
11.00 |
8.2E-08 |
23 |
3 |
18 |
2 |
1.52E-04 |
11.49 |
2.4E-08 |
24 |
3 |
19 |
2 |
4.97E-05 |
11.98 |
7.1E-09 |
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